BDBM50146770 CHEMBL94646::N-(1-{1-[1-Hydroxy-2-(3-phenyl-propylcarbamoyl)-ethyl]-3-methyl-butylcarbamoyl}-2-methyl-butyl)-4-methylaminomethyl-benzamide::PS-222036
SMILES: CCC(C)C(NC(=O)c1ccc(CNC)cc1)C(=O)NC(CC(C)C)C(O)CC(=O)NCCCc1ccccc1
InChI Key: InChIKey=POMPAVNXKGHLHK-UHFFFAOYSA-N
Data: 4 KI
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Plasmepsin 2 (Plasmodium falciparum) | BDBM50146770 (CHEMBL94646 | N-(1-{1-[1-Hydroxy-2-(3-phenyl-propy...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 440 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia, Inc. Curated by ChEMBL | Assay Description In vitro inhibition of plasmepsin-2 from Plasmodium falciparum. | Bioorg Med Chem Lett 8: 2315-20 (1999) BindingDB Entry DOI: 10.7270/Q2SN09G9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Plasmepsin 2 (Plasmodium falciparum) | BDBM50146770 (CHEMBL94646 | N-(1-{1-[1-Hydroxy-2-(3-phenyl-propy...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 440 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Pompeu Fabra Curated by ChEMBL | Assay Description Binding affinity towards plasmepsin-2 in Plasmodium falciparum. | J Med Chem 47: 2805-15 (2004) Article DOI: 10.1021/jm0311240 BindingDB Entry DOI: 10.7270/Q22J6CMN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin D (Homo sapiens (Human)) | BDBM50146770 (CHEMBL94646 | N-(1-{1-[1-Hydroxy-2-(3-phenyl-propy...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universitat Pompeu Fabra Curated by ChEMBL | Assay Description Binding affinity towards human cathepsin D. | J Med Chem 47: 2805-15 (2004) Article DOI: 10.1021/jm0311240 BindingDB Entry DOI: 10.7270/Q22J6CMN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin D (Homo sapiens (Human)) | BDBM50146770 (CHEMBL94646 | N-(1-{1-[1-Hydroxy-2-(3-phenyl-propy...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmacopeia, Inc. Curated by ChEMBL | Assay Description Inhibitory activity against cathepsin D | Bioorg Med Chem Lett 8: 2315-20 (1999) BindingDB Entry DOI: 10.7270/Q2SN09G9 | |||||||||||
More data for this Ligand-Target Pair |